SCHEMBL2085085

SCHEMBL2085085

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2OC)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
FAAH O00519 1/20 0.39
PTGS2 P35354 1/20 0.39
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
DRD2 P14416 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2087122 0.93 FAAH (0.38) FAAHPTGS2
SCHEMBL2087508 0.93 CNR1 (0.39) FAAHPTGS2PPARGPPARA
SCHEMBL2083153 0.93 CNR1 (0.41) FAAHPTGS2PPARGPPARA
SCHEMBL2086333 0.93 FFAR1 (0.44) CYP1A2CYP3A4CYP2C8CYP2C9CYP2B6
SCHEMBL2083383 0.92 CNR1 (0.39) CYP1A2CYP3A4CYP2C8CYP2C9CYP2B6
SCHEMBL2085545 0.92 CNR1 (0.40) FAAHPTGS2EPHX2PPARGPPARA
SCHEMBL2085477 0.92 CNR1 (0.38) FAAHPTGS2
SCHEMBL2085814 0.92 PTGS2 (0.42) CYP1A2CYP3A4CYP2C8CYP2C9CYP2B6
SCHEMBL2085809 0.91 PTGS2 (0.41) FAAHPTGS2
SCHEMBL2083493 0.91 CNR1 (0.38) FAAHPTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed
EP-1781297-B1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2008-10-15 EP disclosed
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-13 US disclosed
EP-1781297-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-05-09 EP disclosed
WO-2006018326-A1 NOVEL BIAROMATIC COMPOUNDS THAT ACTIVATE PPAR TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2006-02-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070213336-A1 Biaromatic compound activators of ppargamma receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARA, PPARD CYP1A2 200/4885CYP3A4 879/4885CYP2C8 494/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.